Molecule

ID:103612

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄NNaO₅S
Molecular Mass
247.24453
Exact Mass
247.04903783
Charge
0
InChI
InChI=1S/C7H15NO5S.Na/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8;/h7,9H,1-6H2,(H,10,11,12);/q;+1/p-1
InChIKey
WSFQLUVWDKCYSW-UHFFFAOYSA-M
Canonic Smiles
OC(CS(=O)(=O)[O-])CN1CCOCC1.[Na+]
Isomeric Smiles
[Na+].OC(CN1CCOCC1)CS(=O)(=O)[O-]
Calculated Properties
JChem
Acid pKa
-1.0794966
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-3.1533294
LogD (pH = 7.4)
-3.771829
Log P
-3.116327
Molar Refractivity
48.5897
Polarizability
20.425943
Polar Surface Area
89.9
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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